SCHEMBL7742498

SCHEMBL7742498

CCOCOC[C@H](C[C@H](Cc1ccccc1)C(=O)NO)NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.43
EPHX2 P34913 3/20 0.43
PPARA Q07869 3/20 0.42
CTSL P07711 2/20 0.41
PIN1 Q13526 2/20 0.41
PPARD Q03181 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP12 P39900 4/20 0.39
MMP8 P22894 1/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7742494 1.00 PPARG (0.43) PPARGEPHX2PPARACTSLPIN1
SCHEMBL7740343 0.91 PIN1 (0.49) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7740348 0.91 PIN1 (0.49) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7739580 0.91 PIN1 (0.43) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7739577 0.91 PIN1 (0.43) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7739536 0.91 PIN1 (0.44) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7739530 0.91 PIN1 (0.44) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7740902 0.90 PIN1 (0.43) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7740333 0.90 CTSL (0.45) PPARGEPHX2CTSLPIN1MMP2
SCHEMBL7740718 0.90 KMT2A (0.43) PPARGEPHX2CTSLPIN1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed